[CP2K-user] [CP2K:17593] Electron configuration: GTH_POTENTIALS vs POTENTIAL_UZH for Cu

[mdsimula...@gmail.com]

Hello,

Can someone tell me why the electron configuration for the GTH_POTENTIALS 
and POTENTIAL_UZH for copper are different?

GTH_POTENTIALS
Cu GTH-PBE-q11 GTH-PBE
1 0 10

POTENTIAL_UZH
Cu GTH-PBE0-q11 GTH-HYB-q11
2 0 9 0

Isn't the ground state electron configuration for copper [Ar] 3d10 4s1?  So 
why does the POTENTIAL_UZH have a [Ar] 3d9 4s2?

Thanks,
Frank

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